2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-ethyl-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-ethyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-ethyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-5-ethyl-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-ethyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-ethyl-6-methyl-1H-pyrimidin-4-one Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H28N4O/c1-3-21-18(2)25-24(26-23(21)29)28-16-14-27(15-17-28)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,22H,3,14-17H2,1-2H3,(H,25,26,29)/p+1